Thermal decomposition pathways of chlorinated trisilanes
DC Field | Value | Language |
---|---|---|
dc.contributor.author | Yu, N.-K. | - |
dc.contributor.author | Kim, K. | - |
dc.contributor.author | Heo, C. | - |
dc.contributor.author | Lee, J. | - |
dc.contributor.author | Kim, W. | - |
dc.contributor.author | Chung, S.-W. | - |
dc.contributor.author | Shong, B. | - |
dc.date.accessioned | 2022-12-12T03:40:08Z | - |
dc.date.available | 2022-12-12T03:40:08Z | - |
dc.date.created | 2022-12-12 | - |
dc.date.issued | 2023-05-01 | - |
dc.identifier.issn | 1876-990X | - |
dc.identifier.uri | https://scholarworks.bwise.kr/hongik/handle/2020.sw.hongik/30628 | - |
dc.description.abstract | Chlorinated trisilanes are important precursors for low-temperature deposition of silicon nitride thin films. However, the thermal decomposition may hinder their application. In this work, the chemical pathways for thermal decomposition of chlorinated trisilanes (Si3H8-xClx, where x = 0, 1, 2, and 8) were explored using density functional theory (DFT) calculations. Three major decomposition paths are considered, by which byproducts of H2-zClz, SiH4-zClz, and SiH2-zClz can be formed. Among considered routes, formation of SiH4-zClz with SiX3-SiX (monosilane with silylsilylene) (X is H or Cl atom), or SiH2-zClz with Si2H6-yCly (silylene with disilane) are similarly preferred in terms of calculated energetics, including activation energy. Hence, the two paths might be the most probable decomposition route of (chloro)trisilane. SiX3-SiH- and SiH2-involving reactions display significantly lower mean reverse activation energy (1–2 kcal/mol) than reactions with other products (10–13 kcal/mol), which is much smaller than the energy required to separate the reaction complex (14–15 kcal/mol), so they may not lead to decomposition. Current results are corroborated by comparison to experimental values from literature. © 2022, The Author(s), under exclusive licence to Springer Nature B.V. | - |
dc.language | 영어 | - |
dc.language.iso | en | - |
dc.publisher | Springer Science and Business Media B.V. | - |
dc.title | Thermal decomposition pathways of chlorinated trisilanes | - |
dc.type | Article | - |
dc.contributor.affiliatedAuthor | Shong, B. | - |
dc.identifier.doi | 10.1007/s12633-022-02248-8 | - |
dc.identifier.scopusid | 2-s2.0-85143275460 | - |
dc.identifier.wosid | 000894357000003 | - |
dc.identifier.bibliographicCitation | Silicon, v.15, no.7, pp.3193 - 3199 | - |
dc.relation.isPartOf | Silicon | - |
dc.citation.title | Silicon | - |
dc.citation.volume | 15 | - |
dc.citation.number | 7 | - |
dc.citation.startPage | 3193 | - |
dc.citation.endPage | 3199 | - |
dc.type.rims | ART | - |
dc.type.docType | Article | - |
dc.description.journalClass | 1 | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
dc.relation.journalResearchArea | Chemistry | - |
dc.relation.journalResearchArea | Materials Science | - |
dc.relation.journalWebOfScienceCategory | Chemistry, Physical | - |
dc.relation.journalWebOfScienceCategory | Materials Science, Multidisciplinary | - |
dc.subject.keywordPlus | ATOMIC-LAYER DEPOSITION | - |
dc.subject.keywordPlus | GAS-PHASE | - |
dc.subject.keywordPlus | SILICON CHLORIDES | - |
dc.subject.keywordPlus | THIN-FILMS | - |
dc.subject.keywordPlus | BASIS-SETS | - |
dc.subject.keywordPlus | KINETICS | - |
dc.subject.keywordPlus | HEXACHLORODISILANE | - |
dc.subject.keywordPlus | ACTIVATION | - |
dc.subject.keywordPlus | MECHANISM | - |
dc.subject.keywordPlus | SURFACE | - |
dc.subject.keywordAuthor | Atomic layer deposition | - |
dc.subject.keywordAuthor | Chemical vapor deposition | - |
dc.subject.keywordAuthor | Chlorosilane | - |
dc.subject.keywordAuthor | Precursor | - |
dc.subject.keywordAuthor | Thermal stability | - |
dc.subject.keywordAuthor | Trisilane | - |
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